3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione

C10H16N2O2 — CID 103549474

IUPAC3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESNCCCN1C(=O)C2CCC(C2)C1=O
InChIInChI=1S/C10H16N2O2/c11-4-1-5-12-9(13)7-2-3-8(6-7)10(12)14/h7-8H,1-6,11H2
InChIKeyPVJRPCBBMIWJGG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.12
Rot. Bonds3

About 3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione

3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione (PubChem CID 103549474) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione
PubChem CID103549474
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESNCCCN1C(=O)C2CCC(C2)C1=O
InChIInChI=1S/C10H16N2O2/c11-4-1-5-12-9(13)7-2-3-8(6-7)10(12)14/h7-8H,1-6,11H2
InChIKeyPVJRPCBBMIWJGG-UHFFFAOYSA-N
XLogP0.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103551378
3-[3-(ethylamino)propyl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103549466
(4S,7R)-2-(3-aminopropyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 52946686
2-(3-aminopropyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 62269860
3-but-3-ynyl-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103552413
2-(5-aminopentyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114391513
(1S,2R,6S,7R)-4-(4-aminobutyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 171984104
(1R,4S)-2-(2-aminoethyl)-2-azabicyclo[2.2.1]heptan-3-one
CID 139516955
3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103549504
1-(3-aminopropyl)-4-methylpiperidine-2,6-dione
CID 62932770
1-(3-aminopropyl)azepane-2,7-dione
CID 43447536
2-(2-aminoethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 84658476

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione (CID 103549474) is 3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione is NCCCN1C(=O)C2CCC(C2)C1=O.
What is the InChIKey of 3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is PVJRPCBBMIWJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-4-1-5-12-9(13)7-2-3-8(6-7)10(12)14/h7-8H,1-6,11H2.
What are the key properties of 3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione?
3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 103549474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).